(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol

C58H92N12O36 — CID 23727128

IUPAC(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCc2cn(C[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](n6cc(CCO[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)nn6)O[C@@H]5Cn5cc(CCO[C@H]6O[C@H](CO)[C@@H](O)C(O)[C@@H]6O)nn5)O[C@@H]4Cn4cc(CCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@H](O)[C@@H](O)[C@@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C58H92N12O36/c71-16-27-32(76)37(81)44(88)53(101-27)94-5-1-20-9-67(63-59-20)13-24-31(75)36(80)48(92)57(99-24)106-51-26(15-69-11-22(61-65-69)3-7-96-55-46(90)39(83)34(78)29(18-73)103-55)100-58(49(93)42(51)86)105-50-25(14-68-10-21(60-64-68)2-6-95-54-45(89)38(82)33(77)28(17-72)102-54)98-52(43(87)41(50)85)70-12-23(62-66-70)4-8-97-56-47(91)40(84)35(79)30(19-74)104-56/h9-12,24-58,71-93H,1-8,13-19H2/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38?,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53+,54+,55+,56+,57-,58-/m1/s1
InChIKeyRMVXEGCSJHXJKV-NUFIVGFNSA-N
MW1533.42 g/mol
LogP-16.77
Rot. Bonds31

About (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol (PubChem CID 23727128) has the molecular formula C58H92N12O36 and a molecular weight of 1533.42 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol
PubChem CID23727128
Molecular FormulaC58H92N12O36
Molecular Weight1533.42 g/mol
Exact Mass1532.57
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCc2cn(C[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](n6cc(CCO[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)nn6)O[C@@H]5Cn5cc(CCO[C@H]6O[C@H](CO)[C@@H](O)C(O)[C@@H]6O)nn5)O[C@@H]4Cn4cc(CCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@H](O)[C@@H](O)[C@@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C58H92N12O36/c71-16-27-32(76)37(81)44(88)53(101-27)94-5-1-20-9-67(63-59-20)13-24-31(75)36(80)48(92)57(99-24)106-51-26(15-69-11-22(61-65-69)3-7-96-55-46(90)39(83)34(78)29(18-73)103-55)100-58(49(93)42(51)86)105-50-25(14-68-10-21(60-64-68)2-6-95-54-45(89)38(82)33(77)28(17-72)102-54)98-52(43(87)41(50)85)70-12-23(62-66-70)4-8-97-56-47(91)40(84)35(79)30(19-74)104-56/h9-12,24-58,71-93H,1-8,13-19H2/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38?,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53+,54+,55+,56+,57-,58-/m1/s1
InChIKeyRMVXEGCSJHXJKV-NUFIVGFNSA-N
XLogP-16.77
TPSA708.12 Ų
H-Bond Donors23
H-Bond Acceptors48
Rotatable Bonds31
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.42
LogP ≤ 5-16.77
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1048

Analyze (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethoxy]ethoxymethyl]triazol-1-yl]-2-[[4-[2-[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethoxy]ethoxymethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethoxy]ethoxymethyl]triazol-1-yl]methyl]oxane-3,4,5-triol
CID 53254177
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxane-3,4,5-triol
CID 122394152
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6S)-6-[4-[[2-amino-3-[[1-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]triazol-4-yl]methoxy]-2-[[1-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86277909
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[2-[4-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59053329
(2S,5S)-2-[(2R,5R)-2-[4-[[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]methyl]triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134861606
(2S,5S)-2-[(2S,5R)-2-[(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-[(2R,3S)-3-hydroxypyrrolidin-2-yl]triazol-1-yl]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134848132
(3R,4S,5S,6R)-2-[4-[[bis[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118051780
(2R,3R,4S,5R)-2-[4-(3-chloropropyl)triazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 25098765
(2R,3S,4S,5R)-2-(4-decyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44590143
(2R,3S,4S,5R)-2-(4-hexyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44590142
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-phenylpropyl)triazol-1-yl]oxane-3,4,5-triol
CID 138520938
2-[[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl]guanidine
CID 102200767

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol (CID 23727128) is (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCCc2cn(C[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](n6cc(CCO[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)nn6)O[C@@H]5Cn5cc(CCO[C@H]6O[C@H](CO)[C@@H](O)C(O)[C@@H]6O)nn5)O[C@@H]4Cn4cc(CCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@H](O)[C@@H](O)[C@@H]3O)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol?
The InChIKey is RMVXEGCSJHXJKV-NUFIVGFNSA-N. The full InChI is InChI=1S/C58H92N12O36/c71-16-27-32(76)37(81)44(88)53(101-27)94-5-1-20-9-67(63-59-20)13-24-31(75)36(80)48(92)57(99-24)106-51-26(15-69-11-22(61-65-69)3-7-96-55-46(90)39(83)34(78)29(18-73)103-55)100-58(49(93)42(51)86)105-50-25(14-68-10-21(60-64-68)2-6-95-54-45(89)38(82)33(77)28(17-72)102-54)98-52(43(87)41(50)85)70-12-23(62-66-70)4-8-97-56-47(91)40(84)35(79)30(19-74)104-56/h9-12,24-58,71-93H,1-8,13-19H2/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38?,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53+,54+,55+,56+,57-,58-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol has a molecular weight of 1533.42 g/mol, XLogP of -16.77, 31 rotatable bonds, 23 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-4,5-dihydroxy-2-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxan-3-yl]oxy-6-[[4-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazol-1-yl]methyl]oxane-3,4,5-triol is sourced from PubChem (CID 23727128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).